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CHEBI:206465 - Montagnuphilone B

ChEBI IDCHEBI:206465
ChEBI NameMontagnuphilone B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H22O9
Net Charge0
Average Mass418.398
Monoisotopic Mass418.12638
SMILESCc1cc(O)cc(O)c1C(=O)O[C@H]1CC2=C(COC(CCC(=O)O)=C2)C(=O)[C@@]1(C)O
InChIInChI=1S/C21H22O9/c1-10-5-12(22)8-15(23)18(10)20(27)30-16-7-11-6-13(3-4-17(24)25)29-9-14(11)19(26)21(16,2)28/h5-6,8,16,22-23,28H,3-4,7,9H2,1-2H3,(H,24,25)/t16-,21-/m0/s1
InChIKeyQWCDUMBXCJTJDP-KKSFZXQISA-N
Roles Classification
Biological Role:
fungal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
ChEBI Ontology
Outgoing Relation(s)
Montagnuphilone B (CHEBI:206465) is a azaphilone (CHEBI:50941)
IUPAC Name 
3-[(6S,7S)-6-(2,4-dihydroxy-6-methylbenzoyl)oxy-7-hydroxy-7-methyl-8-oxo-5,6-dihydro-1H-isochromen-3-yl]propanoic acid
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